[Wien] optimization

[krutibas panda]

Dear Wien2k users,

If i send the structure file, could someone tell me the optimal values of
RMT
Kmax
G max
Mixer
k points (IBZ).

I am trying to find the elastic constants, which i am calculating by using 
the energy difference from my distorted and undistorted lattice and the 
values are in the order of 10 to 100 mRy. Hence i need high accuracy in 
terms of energy.

I know looking at my structure file, an experienced user can give me a very 
good guess starting values for the above mentioned parameter. I am sure i 
will have to reoptimize at least for my k points using a couple of trials. 
But i need a good guess for these values to start with ( at least for mixer 
and k points).

Please let me know and i can send my structure file.

thanks in advance
krutibas
graduate student
University of Utah

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